 Entering Gaussian System, Link 0=g16
 Input=04_BrClFmethane_STD_B3LYPDBJ-def2SVPDr.in
 Output=04_BrClFmethane_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/04_R-BrClFmethane_STD/Gau-31381.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/04_R-BrClFmethane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31383.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 4-Aug-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=04_BrClFmethane_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Aug  4 18:34:23 2021, MaxMem= 17179869184 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "04_BrClFmethane_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.580263000000      0.462073000000      0.411344000000
  Cl                                                1.835659000000     -0.687806000000     -0.067556000000
  Br                                               -1.211307000000     -0.184780000000     -0.028129000000
  F                                                 0.787779000000      1.643768000000     -0.202445000000
  H                                                 0.617958000000      0.593649000000      1.486907000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1
 NAtoms=      5 NQM=        5 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5
 IAtWgt=          12          35          79          19           1
 AtmWgt=  12.0000000  34.9688527  78.9183361  18.9984033   1.0078250
 NucSpn=           0           3           3           1           1
 AtZEff=   3.6000000  14.2400000  24.5000000   6.7500000   1.0000000
 NQMom=    0.0000000  -8.1650000  31.3000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   2.1063990   2.6288670   2.7928460
 AtZNuc=   6.0000000  17.0000000  35.0000000   9.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Aug  4 18:34:23 2021, MaxMem= 17179869184 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  Cl   1.768498   0.000000
     3  Br   1.954809   3.088461   0.000000
     4  F    1.347666   2.559782   2.714833   0.000000
     5  H    1.084237   2.353992   2.499499   1.996372   0.000000
 Stoichiometry    CHBrClF
 Framework group  C1[X(CHBrClF)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           6.4224140           1.9855076           1.5655850
 Leave Link  202 at Wed Aug  4 18:34:24 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       5
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 5 1.00
     Exponent=  2.8948325990D+03 Coefficients= -5.3408255515D-03
     Exponent=  4.3541939120D+02 Coefficients= -3.9904258866D-02
     Exponent=  9.8843328866D+01 Coefficients= -1.7912768038D-01
     Exponent=  2.7485198001D+01 Coefficients= -4.6758090825D-01
     Exponent=  8.5405498171D+00 Coefficients= -4.4653131020D-01
 S 1 1.00
     Exponent=  1.0654578038D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3247346748D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8097752264D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  2.2696633924D+01 Coefficients= -4.5212874436D-02
     Exponent=  4.9872339257D+00 Coefficients= -2.3754317067D-01
     Exponent=  1.3491613954D+00 Coefficients= -5.1287353587D-01
 P 1 1.00
     Exponent=  3.4829881977D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.3372148304D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.2301361948D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 5 1.00
     Exponent=  1.0449827566D+04 Coefficients=  1.9708362484D-03
     Exponent=  1.5717365221D+03 Coefficients=  1.4754727977D-02
     Exponent=  3.5712065523D+02 Coefficients=  6.6679112875D-02
     Exponent=  1.0025185935D+02 Coefficients=  1.7228924084D-01
     Exponent=  3.0812727554D+01 Coefficients=  1.5883786100D-01
 S 3 1.00
     Exponent=  5.1923789434D+01 Coefficients= -1.0009298909D-01
     Exponent=  5.7045760975D+00 Coefficients=  6.0841752753D-01
     Exponent=  2.3508376809D+00 Coefficients=  5.4352153355D-01
 S 1 1.00
     Exponent=  4.4605124672D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.6848856190D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.5344229413D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  3.0766790569D+02 Coefficients= -8.7801484118D-03
     Exponent=  7.2102015515D+01 Coefficients= -6.3563355471D-02
     Exponent=  2.2532680262D+01 Coefficients= -2.4016428276D-01
     Exponent=  7.8991765444D+00 Coefficients= -4.7798866557D-01
     Exponent=  2.8767268321D+00 Coefficients= -3.8515850005D-01
 P 1 1.00
     Exponent=  7.7459363955D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.1037699698D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.0046271086D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2284803390D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 6 1.00
     Exponent=  1.1328638776D+05 Coefficients=  1.4283037779D-03
     Exponent=  1.7009626303D+04 Coefficients=  1.0950417496D-02
     Exponent=  3.8701842567D+03 Coefficients=  5.4421006604D-02
     Exponent=  1.0930357227D+03 Coefficients=  1.9047907695D-01
     Exponent=  3.5639721797D+02 Coefficients=  3.9024642737D-01
     Exponent=  1.2312539643D+02 Coefficients=  3.0814432514D-01
 S 3 1.00
     Exponent=  2.3674084007D+02 Coefficients= -1.1228065671D-01
     Exponent=  2.8468661070D+01 Coefficients=  6.4775962312D-01
     Exponent=  1.1883443722D+01 Coefficients=  4.4235575986D-01
 S 3 1.00
     Exponent=  2.1269633312D+01 Coefficients= -2.2642576323D-01
     Exponent=  3.6129226841D+00 Coefficients=  7.3823712008D-01
     Exponent=  1.6626648969D+00 Coefficients=  4.2683868694D-01
 S 1 1.00
     Exponent=  3.4823793232D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3019031394D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0966709763D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  1.5602801881D+03 Coefficients=  8.7166669072D-03
     Exponent=  3.6847859205D+02 Coefficients=  6.6243637420D-02
     Exponent=  1.1722978849D+02 Coefficients=  2.6495610385D-01
     Exponent=  4.2648909248D+01 Coefficients=  5.3839160587D-01
     Exponent=  1.6087225096D+01 Coefficients=  3.6579387888D-01
 P 3 1.00
     Exponent=  8.6352810058D+00 Coefficients=  3.4248787366D-01
     Exponent=  3.5613665502D+00 Coefficients=  5.7500678213D-01
     Exponent=  1.5292626609D+00 Coefficients=  2.4330394172D-01
 P 1 1.00
     Exponent=  5.3064294848D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5702758965D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9636841846D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.0485518642D+02 Coefficients=  2.2650147581D-02
     Exponent=  3.0281143688D+01 Coefficients=  1.3455483230D-01
     Exponent=  1.0651394267D+01 Coefficients=  3.6474454537D-01
     Exponent=  3.8699456233D+00 Coefficients=  4.9044587056D-01
 D 1 1.00
     Exponent=  1.3240876762D+00 Coefficients=  2.7137289040D-01
 D 1 1.00
     Exponent=  3.8900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.6543342393D-02 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   129 symmetry adapted cartesian basis functions of A   symmetry.
 There are   119 symmetry adapted basis functions of A   symmetry.
   119 basis functions,   214 primitive gaussians,   129 cartesian basis functions
    34 alpha electrons       34 beta electrons
       nuclear repulsion energy       320.0949798637 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0076668790 Hartrees.
 Nuclear repulsion after empirical dispersion term =      320.0873129847 Hartrees.
 Leave Link  301 at Wed Aug  4 18:34:25 2021, MaxMem= 17179869184 cpu:               8.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   119 RedAO= T EigKep=  5.86D-04  NBF=   119
 NBsUse=   119 1.00D-06 EigRej= -1.00D+00 NBFU=   119
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   129   129   129   129   129 MxSgAt=     5 MxSgA2=     5.
 Leave Link  302 at Wed Aug  4 18:34:26 2021, MaxMem= 17179869184 cpu:               5.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Aug  4 18:34:26 2021, MaxMem= 17179869184 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "04_BrClFmethane_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Aug  4 18:34:27 2021, MaxMem= 17179869184 cpu:               6.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=36945901.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   7140 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17154339717 LenY= 17154322635
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -3172.39121233319    
 DIIS: error= 5.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3172.39121233319     IErMin= 1 ErrMin= 5.45D-03
 ErrMax= 5.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.17D-03 BMatP= 9.17D-03
 IDIUse=3 WtCom= 9.45D-01 WtEn= 5.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.257 Goal=   None    Shift=    0.000
 GapD=    0.257 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.17D-03 MaxDP=8.44D-02              OVMax= 1.60D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -3172.39578037716     Delta-E=       -0.004568043968 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3172.39578037716     IErMin= 2 ErrMin= 1.17D-03
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.57D-04 BMatP= 9.17D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02
 Coeff-Com:  0.128D+00 0.872D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.127D+00 0.873D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=4.72D-04 MaxDP=1.05D-02 DE=-4.57D-03 OVMax= 7.92D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -3172.39581767243     Delta-E=       -0.000037295266 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3172.39581767243     IErMin= 2 ErrMin= 1.17D-03
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.08D-04 BMatP= 7.57D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.23D-02
 Coeff-Com:  0.317D-04 0.492D+00 0.508D+00
 Coeff-En:   0.000D+00 0.482D+00 0.518D+00
 Coeff:      0.313D-04 0.491D+00 0.509D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=1.80D-04 MaxDP=5.30D-03 DE=-3.73D-05 OVMax= 5.57D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -3172.39625737859     Delta-E=       -0.000439706163 Rises=F Damp=F
 DIIS: error= 2.37D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3172.39625737859     IErMin= 4 ErrMin= 2.37D-04
 ErrMax= 2.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-05 BMatP= 7.08D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.37D-03
 Coeff-Com: -0.416D-02 0.239D+00 0.291D+00 0.474D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.415D-02 0.238D+00 0.291D+00 0.476D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=4.73D-05 MaxDP=1.31D-03 DE=-4.40D-04 OVMax= 1.24D-03

 Cycle   5  Pass 1  IDiag  1:
 E= -3172.39628243717     Delta-E=       -0.000025058576 Rises=F Damp=F
 DIIS: error= 1.56D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3172.39628243717     IErMin= 5 ErrMin= 1.56D-05
 ErrMax= 1.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-07 BMatP= 3.45D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-02 0.454D-01 0.602D-01 0.110D+00 0.786D+00
 Coeff:     -0.122D-02 0.454D-01 0.602D-01 0.110D+00 0.786D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=4.86D-06 MaxDP=1.38D-04 DE=-2.51D-05 OVMax= 1.10D-04

 Cycle   6  Pass 1  IDiag  1:
 E= -3172.39628251634     Delta-E=       -0.000000079170 Rises=F Damp=F
 DIIS: error= 8.90D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3172.39628251634     IErMin= 6 ErrMin= 8.90D-06
 ErrMax= 8.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-08 BMatP= 1.30D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-03 0.172D-02 0.402D-02 0.132D-01 0.305D+00 0.676D+00
 Coeff:     -0.170D-03 0.172D-02 0.402D-02 0.132D-01 0.305D+00 0.676D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=2.21D-06 MaxDP=5.50D-05 DE=-7.92D-08 OVMax= 5.30D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -3172.39628253375     Delta-E=       -0.000000017410 Rises=F Damp=F
 DIIS: error= 3.78D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3172.39628253375     IErMin= 7 ErrMin= 3.78D-06
 ErrMax= 3.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.03D-09 BMatP= 2.24D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-04-0.186D-02-0.149D-02 0.148D-02 0.122D+00 0.410D+00
 Coeff-Com:  0.470D+00
 Coeff:     -0.263D-04-0.186D-02-0.149D-02 0.148D-02 0.122D+00 0.410D+00
 Coeff:      0.470D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=7.60D-07 MaxDP=1.99D-05 DE=-1.74D-08 OVMax= 2.31D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -3172.39628254001     Delta-E=       -0.000000006259 Rises=F Damp=F
 DIIS: error= 8.48D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3172.39628254001     IErMin= 8 ErrMin= 8.48D-07
 ErrMax= 8.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-10 BMatP= 6.03D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.395D-05-0.122D-02-0.127D-02-0.347D-03 0.399D-01 0.156D+00
 Coeff-Com:  0.220D+00 0.587D+00
 Coeff:      0.395D-05-0.122D-02-0.127D-02-0.347D-03 0.399D-01 0.156D+00
 Coeff:      0.220D+00 0.587D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=1.81D-07 MaxDP=3.13D-06 DE=-6.26D-09 OVMax= 4.31D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -3172.39628254019     Delta-E=       -0.000000000183 Rises=F Damp=F
 DIIS: error= 1.58D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3172.39628254019     IErMin= 9 ErrMin= 1.58D-07
 ErrMax= 1.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-11 BMatP= 2.08D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.334D-05-0.303D-03-0.366D-03-0.212D-03 0.483D-02 0.274D-01
 Coeff-Com:  0.438D-01 0.234D+00 0.690D+00
 Coeff:      0.334D-05-0.303D-03-0.366D-03-0.212D-03 0.483D-02 0.274D-01
 Coeff:      0.438D-01 0.234D+00 0.690D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=4.53D-08 MaxDP=1.12D-06 DE=-1.83D-10 OVMax= 1.22D-06

 Cycle  10  Pass 1  IDiag  1:
 E= -3172.39628254015     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 3.59D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -3172.39628254019     IErMin=10 ErrMin= 3.59D-08
 ErrMax= 3.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-13 BMatP= 1.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.738D-06-0.338D-04-0.511D-04-0.516D-04-0.154D-03 0.981D-03
 Coeff-Com:  0.158D-02 0.455D-01 0.248D+00 0.704D+00
 Coeff:      0.738D-06-0.338D-04-0.511D-04-0.516D-04-0.154D-03 0.981D-03
 Coeff:      0.158D-02 0.455D-01 0.248D+00 0.704D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=1.29D-08 MaxDP=4.13D-07 DE= 3.73D-11 OVMax= 3.16D-07

 Cycle  11  Pass 1  IDiag  1:
 E= -3172.39628254019     Delta-E=       -0.000000000035 Rises=F Damp=F
 DIIS: error= 9.49D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -3172.39628254019     IErMin=11 ErrMin= 9.49D-09
 ErrMax= 9.49D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-14 BMatP= 5.67D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.459D-07 0.826D-05 0.732D-05-0.186D-05-0.453D-03-0.154D-02
 Coeff-Com: -0.233D-02-0.383D-03 0.309D-01 0.262D+00 0.712D+00
 Coeff:      0.459D-07 0.826D-05 0.732D-05-0.186D-05-0.453D-03-0.154D-02
 Coeff:     -0.233D-02-0.383D-03 0.309D-01 0.262D+00 0.712D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=2.76D-09 MaxDP=8.36D-08 DE=-3.46D-11 OVMax= 6.87D-08

 SCF Done:  E(RB3LYP) =  -3172.39628254     A.U. after   11 cycles
            NFock= 11  Conv=0.28D-08     -V/T= 2.0017
 KE= 3.167114600956D+03 PE=-8.212116390523D+03 EE= 1.552518194043D+03
 Leave Link  502 at Wed Aug  4 18:34:31 2021, MaxMem= 17179869184 cpu:              39.0 elap:               3.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   119
 NBasis=   119 NAE=    34 NBE=    34 NFC=     0 NFV=     0
 NROrb=    119 NOA=    34 NOB=    34 NVA=    85 NVB=    85

 **** Warning!!: The largest alpha MO coefficient is  0.11262339D+02

 Leave Link  801 at Wed Aug  4 18:34:32 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         1505 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=64442896.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   7140 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.82D-14 8.33D-09 XBig12= 1.00D+00 5.61D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.82D-14 8.33D-09 XBig12= 2.54D-01 1.40D-01.
     11 vectors produced by pass  2 Test12= 4.82D-14 8.33D-09 XBig12= 1.55D-02 2.50D-02.
     11 vectors produced by pass  3 Test12= 4.82D-14 8.33D-09 XBig12= 3.57D-04 3.75D-03.
     11 vectors produced by pass  4 Test12= 4.82D-14 8.33D-09 XBig12= 7.47D-06 7.74D-04.
     11 vectors produced by pass  5 Test12= 4.82D-14 8.33D-09 XBig12= 6.81D-08 5.43D-05.
     11 vectors produced by pass  6 Test12= 4.82D-14 8.33D-09 XBig12= 3.19D-10 3.34D-06.
      8 vectors produced by pass  7 Test12= 4.82D-14 8.33D-09 XBig12= 9.53D-13 1.85D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension    85 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.690718D+02
      2 -0.159563D+01  0.491099D+02
      3  0.297288D+00  0.965241D+00  0.436011D+02
 Isotropic polarizability for W=    0.088559       53.93 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.248738D+02 -0.148116D+02 -0.724803D+01
      2  -0.628805D+01  0.373707D+01 -0.478301D+01
      3  -0.185858D+02  0.110745D+02  0.120310D+02
      4  -0.321961D+02  0.271841D+02  0.150666D+01
      5   0.142785D+01  0.113658D+01  0.122215D+02
      6   0.865437D+00  0.696420D+00 -0.701281D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.744046D+00  0.488950D+01  0.651630D+01
      2  -0.151495D+02  0.113254D+01  0.458028D+01
      3   0.687964D+01 -0.910388D+01 -0.362532D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.370082D+00  0.547943D+01  0.180873D+02
      2  -0.867588D+01  0.641226D+00  0.308072D+02
      3  -0.173846D+02 -0.334721D+02 -0.271144D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.292486D+00  0.216545D+01 -0.326114D+01
      2   0.216545D+01 -0.392982D+00  0.797790D+00
      3  -0.326114D+01  0.797790D+00  0.126463D+00
 OR G Eigenvalues:    -4.2243     0.4972     3.7531  Iso=    -0.0087
 Eigenvectors:
   (1)   0.652430  -0.489267   0.578752
   (2)   0.141201   0.828783   0.541462
   (3)   0.744579   0.271546  -0.609808
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0087 au.
 Molar Mass =    147.3743 grams/mole, [Alpha] ( 5145.0 A) =       -2.98 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=    7140 ScalPx= 8.12D+00
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    7140 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.33D+01
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 8.03D-15 2.78D-09 XBig12= 1.00D+00 4.13D-01.
     30 vectors produced by pass  1 Test12= 8.03D-15 2.78D-09 XBig12= 3.58D-02 5.64D-02.
     30 vectors produced by pass  2 Test12= 8.03D-15 2.78D-09 XBig12= 7.84D-04 7.42D-03.
     30 vectors produced by pass  3 Test12= 8.03D-15 2.78D-09 XBig12= 4.31D-06 3.02D-04.
     30 vectors produced by pass  4 Test12= 8.03D-15 2.78D-09 XBig12= 6.32D-09 1.13D-05.
     30 vectors produced by pass  5 Test12= 8.03D-15 2.78D-09 XBig12= 6.59D-12 4.67D-07.
      5 vectors produced by pass  6 Test12= 8.03D-15 2.78D-09 XBig12= 7.50D-15 1.21D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   185 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    7140 ScalPx= 1.76D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    7140 ScalPx= 1.76D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    7140 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.05D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.690718D+02 -0.159563D+01  0.297288D+00
      2  -0.159563D+01  0.491099D+02  0.965241D+00
      3   0.297288D+00  0.965241D+00  0.436011D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.744046D+00  0.488950D+01  0.651630D+01
      2  -0.151495D+02  0.113254D+01  0.458028D+01
      3   0.687964D+01 -0.910388D+01 -0.362532D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.248738D+02 -0.148116D+02 -0.724803D+01
      2  -0.628805D+01  0.373707D+01 -0.478301D+01
      3  -0.185858D+02  0.110745D+02  0.120310D+02
      4  -0.321961D+02  0.271841D+02  0.150666D+01
      5   0.142785D+01  0.113658D+01  0.122215D+02
      6   0.865437D+00  0.696420D+00 -0.701281D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107864D+02  0.437322D+01  0.168056D+01  0.879485D+01 -0.130676D+01
      2   0.437322D+01  0.433358D+00 -0.713027D-03 -0.130676D+01  0.208083D+01
      3   0.168056D+01 -0.713027D-03  0.168058D+01  0.101681D+00  0.990744D+00
                 6             7             8             9            10 
      1   0.101681D+00  0.285031D+01 -0.286337D+00 -0.497339D+00  0.119019D+02
      2   0.990744D+00 -0.286337D+00  0.155103D+01 -0.162024D+01 -0.346560D+01
      3   0.234007D+01 -0.497339D+00 -0.162024D+01 -0.464329D+01 -0.766631D+00
                11            12            13            14            15 
      1  -0.346560D+01 -0.766631D+00 -0.373755D+01  0.575068D+01  0.320155D+00
      2   0.339877D+01  0.205100D+00  0.575068D+01 -0.656146D+01 -0.696887D+00
      3   0.205100D+00  0.171904D+01  0.320155D+00 -0.696887D+00 -0.118794D+01
                16            17            18            19            20 
      1  -0.163149D+01  0.356413D+00  0.426227D+01 -0.226748D+02 -0.229117D+01
      2   0.356413D+00 -0.107184D+01 -0.197590D+01 -0.229117D+01 -0.439569D+01
      3   0.426227D+01 -0.197590D+01 -0.135235D+01 -0.124013D+01 -0.177831D+00
                21            22            23            24            25 
      1  -0.124013D+01 -0.449163D+01 -0.589165D+01 -0.270971D+00 -0.281196D+01
      2  -0.177831D+00 -0.589165D+01 -0.263637D+01 -0.527846D+00 -0.175185D+00
      3  -0.315559D+01 -0.270971D+00 -0.527846D+00 -0.781839D+00 -0.546531D+01
                26            27            28            29            30 
      1  -0.175185D+00 -0.546531D+01  0.598751D+00  0.171511D+01 -0.337405D+00
      2  -0.948803D+00 -0.724165D+00  0.171511D+01  0.446333D+00 -0.130549D+00
      3  -0.724165D+00 -0.144248D+01 -0.337405D+00 -0.130549D+00 -0.295990D+00
                31            32            33            34            35 
      1  -0.793888D-01  0.981549D+00 -0.303556D+00 -0.573854D+00 -0.137974D+00
      2   0.981549D+00  0.614649D+01 -0.106421D+01 -0.137974D+00 -0.129394D+01
      3  -0.303556D+00 -0.106421D+01 -0.980647D+00  0.591065D+00  0.212530D+01
                36            37            38            39            40 
      1   0.591065D+00 -0.612332D+00 -0.331563D+00  0.663609D+00 -0.486288D+00
      2   0.212530D+01 -0.331563D+00  0.117222D+00  0.103993D+00  0.466181D+00
      3  -0.269787D+00  0.663609D+00  0.103993D+00  0.519667D-01  0.152691D+00
                41            42            43            44            45 
      1   0.466181D+00  0.152691D+00  0.216699D+01  0.243083D+00  0.110931D+01
      2   0.970510D+00  0.129819D+01  0.243083D+00  0.176355D+01  0.219500D+01
      3   0.129819D+01  0.610355D+00  0.110931D+01  0.219500D+01  0.770791D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.405813D+01 -0.645597D+00 -0.661117D+00 -0.202674D+01 -0.901189D+00
      2  -0.689837D+01 -0.226716D+01 -0.939041D+01 -0.626684D+01  0.159248D+01
      3   0.398036D+01  0.386528D+01 -0.565968D+00  0.179718D+02 -0.153039D+01
                 6             7             8             9            10 
      1   0.937830D+00 -0.549175D+00  0.856764D+01  0.848885D+00 -0.182245D+01
      2   0.112602D+01 -0.238817D+02  0.146927D+00 -0.148264D+01 -0.684284D+01
      3  -0.745356D-01  0.328450D+01 -0.198524D+01  0.735867D+00  0.653557D+01
                11            12            13            14            15 
      1   0.138032D+01  0.175678D+01  0.280547D+01 -0.242260D+01 -0.724095D+01
      2   0.270349D+01  0.124058D+02  0.241894D+01 -0.368591D+01 -0.376473D+01
      3  -0.138820D+02 -0.280900D+00  0.621089D+00  0.897351D+01  0.417389D+00
                16            17            18            19            20 
      1  -0.147618D+01  0.607747D+01 -0.100166D+01 -0.798942D+00 -0.133674D+01
      2  -0.140643D+01 -0.170178D+01 -0.398390D+01  0.139700D+02  0.880340D+00
      3  -0.103268D+00  0.160440D+01  0.299695D+01 -0.121660D+02 -0.110874D+02
                21            22            23            24            25 
      1  -0.130144D+00 -0.188742D+01 -0.733081D+00 -0.970374D+01  0.198479D+01
      2   0.138070D+02  0.268854D+01  0.271989D+01  0.892541D+00 -0.853146D+01
      3  -0.498231D-01  0.813077D+01 -0.222801D+01  0.612942D-01 -0.133647D+01
                26            27            28            29            30 
      1   0.929024D+01 -0.357781D-01 -0.868614D+00  0.205751D+00 -0.997525D+00
      2  -0.412209D-01  0.302339D+01  0.553799D+00 -0.667667D+00  0.291625D+01
      3  -0.148670D+00 -0.194176D+01  0.198840D+01 -0.135771D+01  0.324829D+00
                31            32            33            34            35 
      1   0.459113D+00  0.269707D+01 -0.576317D+01 -0.243417D+00 -0.123803D+01
      2   0.133097D+01 -0.101249D+01  0.154942D+01  0.184119D+01  0.128349D+01
      3   0.810205D+01 -0.550200D+01  0.432408D+00 -0.354434D+01  0.157983D+01
                36            37            38            39            40 
      1   0.319947D+01 -0.568126D+00  0.396271D+00  0.320063D-01  0.500926D+00
      2  -0.133653D+01 -0.633902D+00 -0.166342D+00  0.206200D+01 -0.171606D+00
      3  -0.110815D+01  0.459664D+00 -0.209292D+01  0.891867D-01 -0.289399D+00
                41            42            43            44            45 
      1   0.877141D+00 -0.306807D-01 -0.513966D+00  0.185746D+01 -0.252824D+01
      2   0.386030D+00  0.196751D+00 -0.255793D+01  0.111052D+01  0.363090D+01
      3  -0.511056D+00 -0.687772D+00  0.169958D+01 -0.105032D+01 -0.682911D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.372280D+02  0.302066D+01 -0.252020D+00  0.730022D+01  0.914400D-01
      2   0.220069D+02 -0.348155D+00  0.598427D+00 -0.311072D+01 -0.723521D+01
      3   0.152212D+02 -0.267251D+01 -0.346406D+00 -0.418950D+01  0.714377D+01
      4   0.270610D+01 -0.256937D+02 -0.150464D+01 -0.115045D+02  0.310339D+01
      5   0.636613D+00 -0.521673D+00 -0.203492D+02 -0.123442D+01  0.138985D+01
      6   0.192308D+01  0.547417D+00  0.136217D+01  0.323120D+00  0.128442D+01
                 6             7             8             9            10 
      1  -0.305889D+01  0.290012D+01 -0.874796D+00  0.102434D+02  0.618773D+02
      2   0.341484D+01  0.685879D+00  0.561994D+01  0.269531D+01 -0.306687D+02
      3  -0.355952D+00 -0.358600D+01 -0.474514D+01 -0.129388D+02 -0.312086D+02
      4   0.231145D+01 -0.339296D+01  0.401376D+01 -0.251954D+01 -0.225442D+02
      5   0.238859D+01  0.194853D+01 -0.181297D+01 -0.490340D+01 -0.350339D+01
      6  -0.479918D+01 -0.385843D+00 -0.223779D+00 -0.630032D+01 -0.263225D+00
                11            12            13            14            15 
      1  -0.115027D+02 -0.302656D+01 -0.113610D+02  0.903089D+00  0.833357D+00
      2   0.236668D+01  0.132849D+01 -0.117322D+01  0.159506D+02  0.774088D-01
      3   0.913601D+01  0.169807D+01  0.125342D+02 -0.168537D+02 -0.910766D+00
      4   0.300885D+02  0.165194D+01  0.366352D+02 -0.268691D+02 -0.298815D+01
      5   0.900312D+00  0.227632D+02  0.767190D+00 -0.169888D+01 -0.749524D+01
      6  -0.112060D+01 -0.376824D+01 -0.401905D+00  0.605958D+00  0.146109D+02
                16            17            18            19            20 
      1  -0.550277D+01  0.180570D+01 -0.855624D+00  0.618583D+02  0.455108D+01
      2   0.315547D+01 -0.931426D-01 -0.116281D+02 -0.347996D+02 -0.213459D+01
      3   0.234729D+01 -0.171256D+01  0.124837D+02 -0.270586D+02 -0.241649D+01
      4   0.293040D+01 -0.472422D+01 -0.684304D+01  0.117016D+02  0.276762D+02
      5   0.281228D+02 -0.704869D+01 -0.498185D+01  0.210289D+01  0.166285D+00
      6  -0.580238D+01  0.139882D+02  0.650986D+00 -0.142434D+01  0.739355D+00
                21            22            23            24            25 
      1   0.309285D+01  0.549844D+01 -0.993683D+01  0.990601D+00  0.422703D+01
      2  -0.128461D+01 -0.201191D+01  0.215544D+02 -0.491016D+00 -0.249038D+01
      3  -0.180825D+01 -0.348653D+01 -0.116176D+02 -0.499585D+00 -0.173665D+01
      4   0.746076D+00  0.338470D+02  0.563498D+01  0.864841D+00  0.163398D+01
      5   0.283467D+02  0.137671D+00 -0.141074D+00  0.272425D+01  0.309812D+02
      6   0.990322D+00  0.406911D-01 -0.554158D+00  0.190072D+02  0.986667D+00
                26            27            28            29            30 
      1   0.128771D+01 -0.123524D+02  0.252774D+01  0.187585D+01 -0.583345D+00
      2  -0.435705D+00 -0.143606D+02  0.146689D+01  0.144938D+01  0.500584D+00
      3  -0.852007D+00  0.267130D+02 -0.399462D+01 -0.332523D+01  0.827616D-01
      4   0.159341D+01  0.161024D+01  0.615626D+01  0.124907D+02 -0.209827D+01
      5   0.882332D+00  0.175949D+01 -0.127208D+01 -0.170914D+01  0.483776D+01
      6   0.186789D+02 -0.809308D+00 -0.197740D+01 -0.276158D+00  0.108940D+01
                31            32            33            34            35 
      1   0.526446D+00 -0.190246D+02  0.369480D+01 -0.105544D+01  0.422479D+01
      2   0.364527D+01  0.333728D+02 -0.267252D+01  0.297972D+00 -0.592288D+01
      3  -0.417171D+01 -0.143482D+02 -0.102228D+01  0.757469D+00  0.169809D+01
      4   0.749993D+01  0.152377D+02 -0.175956D+01 -0.184815D+01 -0.374538D+01
      5  -0.813543D+00 -0.117204D+01  0.147249D+01  0.348887D+01  0.347370D+01
      6  -0.433066D+00 -0.426489D+01  0.804650D+01  0.202586D+01  0.976238D+01
                36            37            38            39            40 
      1  -0.634960D+01  0.306051D+01 -0.724035D-01  0.116546D+01 -0.900402D+00
      2   0.408224D+01 -0.405325D+01 -0.269567D+00 -0.134109D+01  0.523072D+00
      3   0.226736D+01  0.992740D+00  0.341971D+00  0.175630D+00  0.377330D+00
      4   0.415460D+01  0.384595D+00  0.454819D+01  0.217014D+01  0.259426D+01
      5  -0.192828D+01  0.233325D+01  0.212946D+01  0.800266D+01  0.114310D+01
      6  -0.456386D+01  0.174188D+01  0.109982D+00  0.326346D+00  0.768448D+00
                41            42            43            44            45 
      1  -0.477304D+01 -0.310337D+01 -0.767135D+00 -0.708690D+01 -0.197532D+02
      2   0.183719D+01  0.958273D+00 -0.184714D+01  0.188295D+00 -0.985627D+01
      3   0.293586D+01  0.214509D+01  0.261427D+01  0.689860D+01  0.296095D+02
      4   0.129737D+01  0.186872D+01  0.676726D+00  0.286243D+01  0.359775D+01
      5   0.162214D+01  0.909906D+00  0.453047D+01  0.291000D+01  0.103513D+02
      6   0.389391D+01  0.673573D+01  0.158007D+01  0.690416D+01  0.119877D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Aug  4 18:34:58 2021, MaxMem= 17179869184 cpu:             314.1 elap:              26.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -482.82286-101.55008 -62.50337 -56.33610 -56.33217
 Alpha  occ. eigenvalues --  -56.33211 -24.74975 -10.39535  -9.50102  -8.72087
 Alpha  occ. eigenvalues --   -7.27052  -7.26012  -7.25992  -6.55482  -6.54113
 Alpha  occ. eigenvalues --   -6.54096  -2.66896  -2.66514  -2.66501  -2.65420
 Alpha  occ. eigenvalues --   -2.65420  -1.25898  -0.90275  -0.81639  -0.68436
 Alpha  occ. eigenvalues --   -0.57928  -0.53822  -0.52822  -0.42532  -0.41065
 Alpha  occ. eigenvalues --   -0.35775  -0.34051  -0.31733  -0.31078
 Alpha virt. eigenvalues --   -0.05882  -0.00609   0.01221   0.03945   0.04360
 Alpha virt. eigenvalues --    0.04759   0.06379   0.08318   0.08934   0.09412
 Alpha virt. eigenvalues --    0.10466   0.12219   0.13194   0.14073   0.17019
 Alpha virt. eigenvalues --    0.18618   0.19153   0.19818   0.22208   0.24505
 Alpha virt. eigenvalues --    0.25588   0.26380   0.27597   0.29394   0.29807
 Alpha virt. eigenvalues --    0.32474   0.33502   0.34640   0.37005   0.38163
 Alpha virt. eigenvalues --    0.40199   0.42489   0.44578   0.46262   0.48401
 Alpha virt. eigenvalues --    0.58073   0.61949   0.63823   0.67444   0.69131
 Alpha virt. eigenvalues --    0.71337   0.71883   0.72559   0.74901   0.77770
 Alpha virt. eigenvalues --    0.78632   0.82114   0.83890   0.88290   0.89370
 Alpha virt. eigenvalues --    0.91842   0.92806   0.93600   0.96538   0.97443
 Alpha virt. eigenvalues --    0.98353   1.02435   1.11337   1.15000   1.21318
 Alpha virt. eigenvalues --    1.24529   1.34147   1.51279   1.54935   1.56067
 Alpha virt. eigenvalues --    1.70812   1.81921   1.94377   1.95959   2.05448
 Alpha virt. eigenvalues --    2.15953   2.20468   2.23922   2.28485   2.88192
 Alpha virt. eigenvalues --    3.32835   3.34060   3.38928   3.42717   3.53268
 Alpha virt. eigenvalues --    3.53540   3.65699   3.66317   3.82543   3.87921
          Condensed to atoms (all electrons):
               1          2          3          4          5
     1  C    4.432576   0.156601   0.307489   0.068051   0.350617
     2  Cl   0.156601  17.289371  -0.097123  -0.057573  -0.014597
     3  Br   0.307489  -0.097123  34.910308  -0.051779  -0.027365
     4  F    0.068051  -0.057573  -0.051779   9.400101  -0.001539
     5  H    0.350617  -0.014597  -0.027365  -0.001539   0.702080
 Mulliken charges:
               1
     1  C    0.684666
     2  Cl  -0.276679
     3  Br  -0.041531
     4  F   -0.357262
     5  H   -0.009196
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.675471
     2  Cl  -0.276679
     3  Br  -0.041531
     4  F   -0.357262
 Electronic spatial extent (au):  <R**2>=            649.4152
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0054    Y=             -0.1053    Z=              1.2113  Tot=              1.2159
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.9148   YY=            -43.7518   ZZ=            -40.8510
   XY=             -0.0629   XZ=              1.1074   YZ=              1.5141
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2577   YY=             -1.5793   ZZ=              1.3215
   XY=             -0.0629   XZ=              1.1074   YZ=              1.5141
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.7112  YYY=              0.3484  ZZZ=              0.7371  XYY=             -8.2110
  XXY=             -3.3391  XXZ=             -3.1678  XZZ=             -7.0527  YZZ=              2.7374
  YYZ=             -0.5710  XYZ=              1.2662
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -476.0429 YYYY=           -178.8270 ZZZZ=            -59.1701 XXXY=              7.8854
 XXXZ=             -0.9139 YYYX=              7.0603 YYYZ=             -0.3247 ZZZX=              2.0092
 ZZZY=              0.5361 XXYY=           -107.3905 XXZZ=            -93.9610 YYZZ=            -39.0940
 XXYZ=              3.0965 YYXZ=             -0.5898 ZZXY=              4.9593
 N-N= 3.200873129847D+02 E-N=-8.212116394543D+03  KE= 3.167114600956D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Aug  4 18:34:59 2021, MaxMem= 17179869184 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.05291525D-02-2.55286268D-02 4.79815606D-01
 Polarizability= 5.98927256D+01-1.54519883D+00 4.05019425D+01
                 4.92723801D-01 1.59046193D+00 3.46058326D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1487   -0.1486       -0.7980   -0.7978
 2      0.1487    0.1486       -0.4827   -0.4826       -9.9816   -9.9810
 3      0.7979    0.7978       12.7356   12.7354        0.4827    0.4826
 4      0.4827    0.4826        0.0000    0.0000        0.7979    0.7978
 5     -2.7541   -2.7544       -0.7979   -0.7978       -0.1488   -0.1486
 6     -0.4827   -0.4826        0.1488    0.1486       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.4459    0.4459       -2.3934   -2.3934
 2      1.4479    1.4479       -0.0000    0.0000       -2.3934   -2.3934
 3      1.4479    1.4479        0.4459    0.4459        0.0000    0.0000
 4      0.4459    0.4459       -1.4479   -1.4479      -29.9430  -29.9430
 5      2.3934    2.3934       38.2061   38.2061        1.4479    1.4479
 6     -8.2631   -8.2631       -2.3934   -2.3934       -0.4459   -0.4459
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0234    0.0000        0.5419    0.5946        3.2346    3.1913
 2     -0.6113   -0.5946        1.9480    1.9305       39.8572   39.9239
 3     -3.1662   -3.1913      -50.9236  -50.9414       -2.0491   -1.9305
 4     -1.9329   -1.9305        0.0076    0.0000       -3.1747   -3.1913
 5     11.0569   11.0175        3.1418    3.1913        0.6058    0.5946
 6      1.9135    1.9305       -0.6048   -0.5946        0.0138    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0148    0.0000       13.3943   13.3959       10.2425   10.2600
 2    -13.3866  -13.3959       -4.5505   -4.5236       -3.7226   -3.7532
 3    -10.3099  -10.2600        0.8180    0.7630        4.4369    4.5236
 4      4.5514    4.5236        0.0740    0.0000      -10.2607  -10.2600
 5      2.9909    2.9902       10.3274   10.2600       13.4799   13.3959
 6     -4.5706   -4.5236      -13.4757  -13.3959        0.0690    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     12.3005   12.2977       25.2035   25.1833        0.7892    0.7314
 2     15.0142   14.9626       25.9974   25.8860        0.7072    0.7314
 3     15.0172   14.9626       25.2805   25.1833       -2.4431   -2.4650
 4     -0.7072   -0.7027       -2.6289   -2.6649       -2.0063   -2.0226
 5     -3.2187   -3.1964        0.2054    0.1979        2.7892    2.6649
 6      1.8146    1.8247        3.3199    3.1964        0.9175    0.7027
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9068    0.0067    0.0075    0.0111    2.4512    4.6877
 Low frequencies ---  220.1431  308.3106  421.2903
 Diagonal vibrational polarizability:
       13.1917743       5.9830010       0.7150335
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --    220.1431               308.3105               421.2903
 Red. masses --     26.5398                21.0395                17.6134
 Frc consts  --      0.7578                 1.1783                 1.8419
 IR Inten    --      0.0495                 0.2395                 0.6739
 RamAct Fr= 1--      4.4527                 3.8635                 6.2813
  Dep-P Fr= 1--      0.3466                 0.3619                 0.1330
  Dep-U Fr= 1--      0.5147                 0.5315                 0.2348
 Alpha2 Fr= 1--      0.0395                 0.0326                 0.1013
 Beta2  Fr= 1--      0.3820                 0.3422                 0.2458
 AlphaG Fr= 1--      0.0144                -0.0279                 0.0088
 Gamma2 Fr= 1--      0.0845                -0.0764                -0.1463
 Delta2 Fr= 1--      0.0327                -0.0482                 0.0431
 Raman1 Fr= 1--      17.811                 15.454                 25.125
 ROA1   Fr= 1--       9.153                 -8.877                -12.663
 CID1   Fr= 1--       0.514                 -0.574                 -0.504
 Raman2 Fr= 1--       4.584                  4.107                  2.950
 ROA2   Fr= 1--       1.766                 -1.448                 -3.855
 CID2   Fr= 1--       0.385                 -0.352                 -1.307
 Raman3 Fr= 1--       9.168                  8.214                  5.899
 ROA3   Fr= 1--       9.153                 -8.877                -12.663
 CID3   Fr= 1--       0.998                 -1.081                 -2.147
 RC180  Fr= 1--       0.029                  0.063                 -0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.36  -0.08     0.10   0.24  -0.10     0.15   0.27  -0.36
     2  17     0.64   0.11   0.02    -0.07   0.17  -0.01     0.21  -0.36   0.05
     3  35    -0.30   0.10   0.01    -0.18  -0.16   0.01    -0.08  -0.04   0.01
     4   9     0.00  -0.34  -0.02     0.84   0.19   0.04    -0.17   0.62   0.11
     5   1    -0.00  -0.46  -0.06    -0.18   0.21  -0.09     0.21   0.06  -0.35
                      4                      5                      6
                      A                      A                      A
 Frequencies --    644.8537               752.9321              1080.7938
 Red. masses --      5.6839                 8.0982                11.5581
 Frc consts  --      1.3926                 2.7049                 7.9547
 IR Inten    --     66.9507               199.4254               196.1233
 RamAct Fr= 1--     20.7576                 4.5647                 2.8641
  Dep-P Fr= 1--      0.1081                 0.6183                 0.5661
  Dep-U Fr= 1--      0.1951                 0.7642                 0.7230
 Alpha2 Fr= 1--      0.3563                 0.0110                 0.0100
 Beta2  Fr= 1--      0.6748                 0.5814                 0.3451
 AlphaG Fr= 1--      0.0464                -0.0088                -0.0004
 Gamma2 Fr= 1--     -0.5702                 1.2342                -0.0202
 Delta2 Fr= 1--      0.1435                -0.1403                 0.0123
 Raman1 Fr= 1--      83.030                 18.259                 11.456
 ROA1   Fr= 1--     -50.152                113.996                 -1.543
 CID1   Fr= 1--      -0.604                  6.243                 -0.135
 Raman2 Fr= 1--       8.098                  6.976                  4.141
 ROA2   Fr= 1--     -14.834                 30.744                 -0.582
 CID2   Fr= 1--      -1.832                  4.407                 -0.141
 Raman3 Fr= 1--      16.196                 13.952                  8.282
 ROA3   Fr= 1--     -50.152                113.996                 -1.543
 CID3   Fr= 1--      -3.097                  8.170                 -0.186
 RC180  Fr= 1--      -0.610                  0.528                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.35   0.22   0.44     0.60  -0.30  -0.27     0.13   0.64  -0.39
     2  17     0.01  -0.04  -0.04    -0.13   0.10   0.09    -0.00  -0.00   0.00
     3  35    -0.05  -0.02  -0.04    -0.02   0.00  -0.00     0.00   0.00   0.00
     4   9    -0.06  -0.03  -0.07    -0.08   0.02   0.04    -0.08  -0.41   0.24
     5   1     0.48   0.45   0.42     0.45  -0.41  -0.26    -0.12   0.24  -0.34
                      7                      8                      9
                      A                      A                      A
 Frequencies --   1217.2294              1325.7234              3153.3835
 Red. masses --      1.0950                 1.1129                 1.0883
 Frc consts  --      0.9559                 1.1524                 6.3763
 IR Inten    --     65.2114                12.2218                 1.0582
 RamAct Fr= 1--      3.3360                 4.6265                79.1201
  Dep-P Fr= 1--      0.3154                 0.4605                 0.2071
  Dep-U Fr= 1--      0.4796                 0.6306                 0.3432
 Alpha2 Fr= 1--      0.0327                 0.0272                 1.0543
 Beta2  Fr= 1--      0.2667                 0.4862                 4.5252
 AlphaG Fr= 1--      0.0814                -0.0187                -0.0647
 Gamma2 Fr= 1--      0.4088                -0.1940                 0.4242
 Delta2 Fr= 1--      0.0553                 0.1044                -0.1916
 Raman1 Fr= 1--      13.344                 18.506                316.480
 ROA1   Fr= 1--      41.013                -15.282                 34.591
 CID1   Fr= 1--       3.074                 -0.826                  0.109
 Raman2 Fr= 1--       3.200                  5.835                 54.302
 ROA2   Fr= 1--       9.368                 -5.491                 11.713
 CID2   Fr= 1--       2.928                 -0.941                  0.216
 Raman3 Fr= 1--       6.400                 11.669                108.604
 ROA3   Fr= 1--      41.013                -15.282                 34.591
 CID3   Fr= 1--       6.409                 -1.310                  0.319
 RC180  Fr= 1--      -0.041                  0.261                 -0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.01  -0.08  -0.03    -0.00  -0.01  -0.08
     2  17    -0.00   0.01   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3  35    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   9     0.01  -0.01   0.01    -0.00  -0.00   0.04     0.00   0.00   0.00
     5   1     0.99  -0.07  -0.04     0.06   0.98  -0.15     0.03   0.11   0.99

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 17 and mass  34.96885
 Atom     3 has atomic number 35 and mass  78.91834
 Atom     4 has atomic number  9 and mass  18.99840
 Atom     5 has atomic number  1 and mass   1.00783
 Molecular mass:   145.89342 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   281.00668 908.957091152.75840
           X            0.99995  -0.00934   0.00402
           Y            0.00927   0.99982   0.01651
           Z           -0.00417  -0.01647   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.30823     0.09529     0.07514
 Rotational constants (GHZ):           6.42241     1.98551     1.56558
 Zero-point vibrational energy      54577.6 (Joules/Mol)
                                   13.04436 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    316.74   443.59   606.14   927.80  1083.30
          (Kelvin)           1555.02  1751.32  1907.42  4537.02
 
 Zero-point correction=                           0.020788 (Hartree/Particle)
 Thermal correction to Energy=                    0.025132
 Thermal correction to Enthalpy=                  0.026076
 Thermal correction to Gibbs Free Energy=        -0.008608
 Sum of electronic and zero-point Energies=          -3172.995939
 Sum of electronic and thermal Energies=             -3172.991595
 Sum of electronic and thermal Enthalpies=           -3172.990651
 Sum of electronic and thermal Free Energies=        -3173.025334
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   15.770             13.150             72.998
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.844
 Rotational               0.889              2.981             27.179
 Vibrational             13.993              7.189              4.975
 Vibration     1          0.647              1.810              1.958
 Vibration     2          0.698              1.658              1.371
 Vibration     3          0.784              1.424              0.888
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.910574D+04          3.959315          9.116660
 Total V=0       0.331814D+14         13.520895         31.133011
 Vib (Bot)       0.676804D-09         -9.169537        -21.113640
 Vib (Bot)    1  0.898468D+00         -0.046497         -0.107064
 Vib (Bot)    2  0.613919D+00         -0.211889         -0.487893
 Vib (Bot)    3  0.416378D+00         -0.380513         -0.876163
 Vib (V=0)       0.246628D+01          0.392043          0.902712
 Vib (V=0)    1  0.152822D+01          0.184187          0.424107
 Vib (V=0)    2  0.129177D+01          0.111184          0.256012
 Vib (V=0)    3  0.115067D+01          0.060950          0.140344
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.692640D+08          7.840507         18.053436
 Rotational      0.194243D+06          5.288345         12.176864
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                                                                         1   1     1                                           
     1                                                                         3   2     0            7    6        4   3   2        
     5                                                                         2   1     8            5    4        2   0   2        
     3                                                                         6   7     1            3    5        1   8   0        
 
     X                                                                         X   X     X            X    X        X   X            
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000376    0.000007596    0.000008380
      2       17          -0.000005249   -0.000002155   -0.000004880
      3       35           0.000006364   -0.000001735    0.000001409
      4        9          -0.000001304   -0.000002289   -0.000003894
      5        1          -0.000000188   -0.000001417   -0.000001014
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008380 RMS     0.000004121
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.243316D+00
      2  0.944894D-02  0.345246D+00
      3 -0.750868D-02 -0.135628D-01  0.564762D+00
      4 -0.759742D-01  0.392777D-01  0.364195D-01  0.115290D+00
      5  0.317880D-01 -0.587631D-01 -0.318815D-01 -0.779008D-01  0.107857D+00
      6  0.221968D-01 -0.206848D-01 -0.581604D-01 -0.351626D-01  0.299508D-01
      7 -0.702310D-01 -0.147378D-01 -0.333916D-01 -0.342684D-01  0.708698D-02
      8 -0.119859D-01 -0.262034D-01 -0.126933D-01  0.829409D-02  0.539661D-02
      9 -0.197735D-01 -0.801973D-02 -0.430829D-01  0.280635D-02  0.169533D-02
     10 -0.611045D-01 -0.310879D-01  0.222137D-01  0.286213D-02  0.242599D-01
     11 -0.269721D-01 -0.213011D+00  0.110690D+00  0.206874D-01 -0.478458D-01
     12  0.154907D-01  0.810553D-01 -0.130831D+00 -0.641041D-02  0.351968D-02
     13 -0.360061D-01 -0.290088D-02 -0.177329D-01 -0.790979D-02  0.147659D-01
     14 -0.227883D-02 -0.472682D-01 -0.525527D-01  0.964160D-02 -0.664483D-02
     15 -0.104053D-01 -0.387879D-01 -0.332687D+00  0.234723D-02 -0.328426D-02
                6             7             8             9            10 
      6  0.409478D-01
      7 -0.256157D-03  0.137170D+00
      8  0.200933D-02  0.413150D-01  0.409488D-01
      9  0.566192D-02  0.289149D-01  0.983497D-02  0.275773D-01
     10 -0.742308D-02 -0.167381D-01 -0.283901D-01  0.800435D-02  0.682318D-01
     11  0.548366D-02 -0.278658D-01 -0.212061D-01  0.282231D-02  0.378257D-01
     12  0.119779D-01  0.672376D-02  0.198407D-02  0.894446D-02 -0.243323D-01
     13  0.206451D-01 -0.159320D-01 -0.923302D-02 -0.199521D-01  0.674878D-02
     14 -0.167590D-01 -0.579830D-02  0.106409D-02 -0.633288D-02 -0.260764D-02
     15 -0.427250D-03 -0.199091D-02 -0.113504D-02  0.899157D-03  0.153730D-02
               11            12            13            14            15 
     11  0.293965D+00
     12 -0.130687D+00  0.124021D+00
     13 -0.367516D-02  0.852824D-02  0.530991D-01
     14 -0.119017D-01  0.441277D-01  0.104317D-02  0.647506D-01
     15  0.116904D-01 -0.141126D-01  0.851170D-02  0.315168D-01  0.346328D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.690718D+02 -0.159563D+01  0.297288D+00
      2  -0.159563D+01  0.491099D+02  0.965241D+00
      3   0.297288D+00  0.965241D+00  0.436011D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.744046D+00  0.488950D+01  0.651630D+01
      2  -0.151495D+02  0.113254D+01  0.458028D+01
      3   0.687964D+01 -0.910388D+01 -0.362532D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.248738D+02 -0.148116D+02 -0.724803D+01
      2  -0.628805D+01  0.373706D+01 -0.478301D+01
      3  -0.185858D+02  0.110745D+02  0.120310D+02
      4  -0.321961D+02  0.271841D+02  0.150666D+01
      5   0.142785D+01  0.113658D+01  0.122215D+02
      6   0.865437D+00  0.696420D+00 -0.701281D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107864D+02  0.437322D+01  0.168056D+01  0.879485D+01 -0.130676D+01
      2   0.437322D+01  0.433357D+00 -0.713039D-03 -0.130676D+01  0.208083D+01
      3   0.168056D+01 -0.713039D-03  0.168058D+01  0.101681D+00  0.990744D+00
                 6             7             8             9            10 
      1   0.101681D+00  0.285031D+01 -0.286337D+00 -0.497339D+00  0.119019D+02
      2   0.990744D+00 -0.286337D+00  0.155103D+01 -0.162024D+01 -0.346560D+01
      3   0.234007D+01 -0.497339D+00 -0.162024D+01 -0.464329D+01 -0.766631D+00
                11            12            13            14            15 
      1  -0.346560D+01 -0.766631D+00 -0.373755D+01  0.575068D+01  0.320155D+00
      2   0.339877D+01  0.205100D+00  0.575068D+01 -0.656146D+01 -0.696887D+00
      3   0.205100D+00  0.171904D+01  0.320155D+00 -0.696887D+00 -0.118794D+01
                16            17            18            19            20 
      1  -0.163149D+01  0.356413D+00  0.426227D+01 -0.226748D+02 -0.229117D+01
      2   0.356413D+00 -0.107184D+01 -0.197590D+01 -0.229117D+01 -0.439569D+01
      3   0.426227D+01 -0.197590D+01 -0.135235D+01 -0.124013D+01 -0.177831D+00
                21            22            23            24            25 
      1  -0.124013D+01 -0.449163D+01 -0.589165D+01 -0.270971D+00 -0.281196D+01
      2  -0.177831D+00 -0.589165D+01 -0.263637D+01 -0.527846D+00 -0.175185D+00
      3  -0.315559D+01 -0.270971D+00 -0.527846D+00 -0.781838D+00 -0.546531D+01
                26            27            28            29            30 
      1  -0.175185D+00 -0.546531D+01  0.598751D+00  0.171511D+01 -0.337405D+00
      2  -0.948803D+00 -0.724165D+00  0.171511D+01  0.446334D+00 -0.130549D+00
      3  -0.724165D+00 -0.144248D+01 -0.337405D+00 -0.130549D+00 -0.295990D+00
                31            32            33            34            35 
      1  -0.793887D-01  0.981549D+00 -0.303556D+00 -0.573854D+00 -0.137974D+00
      2   0.981549D+00  0.614649D+01 -0.106421D+01 -0.137974D+00 -0.129394D+01
      3  -0.303556D+00 -0.106421D+01 -0.980647D+00  0.591065D+00  0.212530D+01
                36            37            38            39            40 
      1   0.591065D+00 -0.612332D+00 -0.331563D+00  0.663609D+00 -0.486288D+00
      2   0.212530D+01 -0.331563D+00  0.117222D+00  0.103993D+00  0.466181D+00
      3  -0.269787D+00  0.663609D+00  0.103993D+00  0.519667D-01  0.152691D+00
                41            42            43            44            45 
      1   0.466181D+00  0.152691D+00  0.216699D+01  0.243083D+00  0.110931D+01
      2   0.970510D+00  0.129819D+01  0.243083D+00  0.176355D+01  0.219500D+01
      3   0.129819D+01  0.610355D+00  0.110931D+01  0.219500D+01  0.770791D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.405813D+01 -0.645597D+00 -0.661117D+00 -0.202675D+01 -0.901189D+00
      2  -0.689837D+01 -0.226716D+01 -0.939041D+01 -0.626684D+01  0.159248D+01
      3   0.398036D+01  0.386528D+01 -0.565968D+00  0.179718D+02 -0.153039D+01
                 6             7             8             9            10 
      1   0.937830D+00 -0.549176D+00  0.856764D+01  0.848885D+00 -0.182245D+01
      2   0.112602D+01 -0.238817D+02  0.146928D+00 -0.148264D+01 -0.684284D+01
      3  -0.745356D-01  0.328450D+01 -0.198524D+01  0.735867D+00  0.653556D+01
                11            12            13            14            15 
      1   0.138032D+01  0.175678D+01  0.280547D+01 -0.242260D+01 -0.724095D+01
      2   0.270349D+01  0.124058D+02  0.241894D+01 -0.368591D+01 -0.376473D+01
      3  -0.138820D+02 -0.280900D+00  0.621089D+00  0.897351D+01  0.417389D+00
                16            17            18            19            20 
      1  -0.147618D+01  0.607747D+01 -0.100166D+01 -0.798942D+00 -0.133674D+01
      2  -0.140643D+01 -0.170178D+01 -0.398390D+01  0.139700D+02  0.880340D+00
      3  -0.103268D+00  0.160440D+01  0.299695D+01 -0.121660D+02 -0.110874D+02
                21            22            23            24            25 
      1  -0.130144D+00 -0.188742D+01 -0.733081D+00 -0.970374D+01  0.198479D+01
      2   0.138070D+02  0.268854D+01  0.271989D+01  0.892541D+00 -0.853146D+01
      3  -0.498231D-01  0.813077D+01 -0.222801D+01  0.612942D-01 -0.133647D+01
                26            27            28            29            30 
      1   0.929024D+01 -0.357781D-01 -0.868614D+00  0.205751D+00 -0.997525D+00
      2  -0.412209D-01  0.302339D+01  0.553799D+00 -0.667667D+00  0.291625D+01
      3  -0.148670D+00 -0.194176D+01  0.198840D+01 -0.135771D+01  0.324829D+00
                31            32            33            34            35 
      1   0.459113D+00  0.269707D+01 -0.576317D+01 -0.243417D+00 -0.123803D+01
      2   0.133097D+01 -0.101249D+01  0.154942D+01  0.184119D+01  0.128349D+01
      3   0.810205D+01 -0.550200D+01  0.432408D+00 -0.354434D+01  0.157983D+01
                36            37            38            39            40 
      1   0.319947D+01 -0.568126D+00  0.396271D+00  0.320063D-01  0.500926D+00
      2  -0.133653D+01 -0.633902D+00 -0.166342D+00  0.206200D+01 -0.171606D+00
      3  -0.110815D+01  0.459664D+00 -0.209292D+01  0.891866D-01 -0.289399D+00
                41            42            43            44            45 
      1   0.877141D+00 -0.306807D-01 -0.513966D+00  0.185746D+01 -0.252824D+01
      2   0.386030D+00  0.196751D+00 -0.255793D+01  0.111052D+01  0.363090D+01
      3  -0.511056D+00 -0.687772D+00  0.169958D+01 -0.105032D+01 -0.682911D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.372280D+02  0.302066D+01 -0.252021D+00  0.730023D+01  0.914399D-01
      2   0.220069D+02 -0.348155D+00  0.598427D+00 -0.311072D+01 -0.723521D+01
      3   0.152212D+02 -0.267251D+01 -0.346406D+00 -0.418950D+01  0.714377D+01
      4   0.270610D+01 -0.256937D+02 -0.150464D+01 -0.115045D+02  0.310339D+01
      5   0.636613D+00 -0.521673D+00 -0.203492D+02 -0.123442D+01  0.138985D+01
      6   0.192308D+01  0.547417D+00  0.136217D+01  0.323120D+00  0.128442D+01
                 6             7             8             9            10 
      1  -0.305889D+01  0.290012D+01 -0.874796D+00  0.102434D+02  0.618773D+02
      2   0.341484D+01  0.685879D+00  0.561994D+01  0.269531D+01 -0.306687D+02
      3  -0.355952D+00 -0.358600D+01 -0.474514D+01 -0.129388D+02 -0.312086D+02
      4   0.231145D+01 -0.339296D+01  0.401376D+01 -0.251955D+01 -0.225442D+02
      5   0.238859D+01  0.194853D+01 -0.181297D+01 -0.490340D+01 -0.350339D+01
      6  -0.479918D+01 -0.385843D+00 -0.223779D+00 -0.630032D+01 -0.263225D+00
                11            12            13            14            15 
      1  -0.115027D+02 -0.302656D+01 -0.113610D+02  0.903089D+00  0.833357D+00
      2   0.236668D+01  0.132849D+01 -0.117322D+01  0.159506D+02  0.774089D-01
      3   0.913601D+01  0.169807D+01  0.125342D+02 -0.168537D+02 -0.910766D+00
      4   0.300885D+02  0.165194D+01  0.366352D+02 -0.268691D+02 -0.298815D+01
      5   0.900312D+00  0.227632D+02  0.767190D+00 -0.169888D+01 -0.749525D+01
      6  -0.112060D+01 -0.376824D+01 -0.401905D+00  0.605959D+00  0.146109D+02
                16            17            18            19            20 
      1  -0.550277D+01  0.180570D+01 -0.855625D+00  0.618583D+02  0.455108D+01
      2   0.315547D+01 -0.931425D-01 -0.116281D+02 -0.347996D+02 -0.213459D+01
      3   0.234729D+01 -0.171256D+01  0.124837D+02 -0.270586D+02 -0.241649D+01
      4   0.293040D+01 -0.472422D+01 -0.684304D+01  0.117016D+02  0.276762D+02
      5   0.281228D+02 -0.704869D+01 -0.498185D+01  0.210289D+01  0.166285D+00
      6  -0.580238D+01  0.139882D+02  0.650986D+00 -0.142434D+01  0.739355D+00
                21            22            23            24            25 
      1   0.309285D+01  0.549844D+01 -0.993683D+01  0.990601D+00  0.422703D+01
      2  -0.128461D+01 -0.201191D+01  0.215544D+02 -0.491016D+00 -0.249038D+01
      3  -0.180825D+01 -0.348653D+01 -0.116176D+02 -0.499585D+00 -0.173665D+01
      4   0.746076D+00  0.338470D+02  0.563498D+01  0.864841D+00  0.163398D+01
      5   0.283467D+02  0.137671D+00 -0.141074D+00  0.272425D+01  0.309812D+02
      6   0.990322D+00  0.406912D-01 -0.554158D+00  0.190072D+02  0.986667D+00
                26            27            28            29            30 
      1   0.128771D+01 -0.123524D+02  0.252774D+01  0.187585D+01 -0.583345D+00
      2  -0.435705D+00 -0.143606D+02  0.146689D+01  0.144938D+01  0.500584D+00
      3  -0.852007D+00  0.267130D+02 -0.399462D+01 -0.332523D+01  0.827616D-01
      4   0.159341D+01  0.161024D+01  0.615626D+01  0.124907D+02 -0.209827D+01
      5   0.882331D+00  0.175949D+01 -0.127208D+01 -0.170914D+01  0.483776D+01
      6   0.186789D+02 -0.809308D+00 -0.197740D+01 -0.276158D+00  0.108940D+01
                31            32            33            34            35 
      1   0.526446D+00 -0.190246D+02  0.369480D+01 -0.105544D+01  0.422479D+01
      2   0.364527D+01  0.333728D+02 -0.267252D+01  0.297972D+00 -0.592288D+01
      3  -0.417171D+01 -0.143482D+02 -0.102228D+01  0.757469D+00  0.169809D+01
      4   0.749993D+01  0.152377D+02 -0.175956D+01 -0.184815D+01 -0.374538D+01
      5  -0.813543D+00 -0.117204D+01  0.147249D+01  0.348887D+01  0.347370D+01
      6  -0.433066D+00 -0.426489D+01  0.804650D+01  0.202586D+01  0.976238D+01
                36            37            38            39            40 
      1  -0.634960D+01  0.306051D+01 -0.724035D-01  0.116546D+01 -0.900403D+00
      2   0.408224D+01 -0.405325D+01 -0.269567D+00 -0.134109D+01  0.523072D+00
      3   0.226736D+01  0.992740D+00  0.341971D+00  0.175630D+00  0.377330D+00
      4   0.415460D+01  0.384595D+00  0.454819D+01  0.217014D+01  0.259426D+01
      5  -0.192828D+01  0.233325D+01  0.212946D+01  0.800266D+01  0.114310D+01
      6  -0.456386D+01  0.174188D+01  0.109982D+00  0.326346D+00  0.768448D+00
                41            42            43            44            45 
      1  -0.477304D+01 -0.310337D+01 -0.767135D+00 -0.708690D+01 -0.197532D+02
      2   0.183719D+01  0.958273D+00 -0.184714D+01  0.188295D+00 -0.985627D+01
      3   0.293586D+01  0.214509D+01  0.261427D+01  0.689860D+01  0.296095D+02
      4   0.129737D+01  0.186872D+01  0.676726D+00  0.286243D+01  0.359775D+01
      5   0.162214D+01  0.909906D+00  0.453047D+01  0.291000D+01  0.103513D+02
      6   0.389391D+01  0.673573D+01  0.158007D+01  0.690416D+01  0.119877D+02
 Leave Link  716 at Wed Aug  4 18:35:00 2021, MaxMem= 17179869184 cpu:               3.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.690718D+02 -0.159563D+01  0.297288D+00
      2  -0.159563D+01  0.491099D+02  0.965241D+00
      3   0.297288D+00  0.965241D+00  0.436011D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.744046D+00  0.488950D+01  0.651630D+01
      2  -0.151495D+02  0.113254D+01  0.458028D+01
      3   0.687964D+01 -0.910388D+01 -0.362532D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.248738D+02 -0.148116D+02 -0.724803D+01
      2  -0.628805D+01  0.373706D+01 -0.478301D+01
      3  -0.185858D+02  0.110745D+02  0.120310D+02
      4  -0.321961D+02  0.271841D+02  0.150666D+01
      5   0.142785D+01  0.113658D+01  0.122215D+02
      6   0.865437D+00  0.696420D+00 -0.701281D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107864D+02  0.437322D+01  0.168056D+01  0.879485D+01 -0.130676D+01
      2   0.437322D+01  0.433357D+00 -0.713039D-03 -0.130676D+01  0.208083D+01
      3   0.168056D+01 -0.713039D-03  0.168058D+01  0.101681D+00  0.990744D+00
                 6             7             8             9            10 
      1   0.101681D+00  0.285031D+01 -0.286337D+00 -0.497339D+00  0.119019D+02
      2   0.990744D+00 -0.286337D+00  0.155103D+01 -0.162024D+01 -0.346560D+01
      3   0.234007D+01 -0.497339D+00 -0.162024D+01 -0.464329D+01 -0.766631D+00
                11            12            13            14            15 
      1  -0.346560D+01 -0.766631D+00 -0.373755D+01  0.575068D+01  0.320155D+00
      2   0.339877D+01  0.205100D+00  0.575068D+01 -0.656146D+01 -0.696887D+00
      3   0.205100D+00  0.171904D+01  0.320155D+00 -0.696887D+00 -0.118794D+01
                16            17            18            19            20 
      1  -0.163149D+01  0.356413D+00  0.426227D+01 -0.226748D+02 -0.229117D+01
      2   0.356413D+00 -0.107184D+01 -0.197590D+01 -0.229117D+01 -0.439569D+01
      3   0.426227D+01 -0.197590D+01 -0.135235D+01 -0.124013D+01 -0.177831D+00
                21            22            23            24            25 
      1  -0.124013D+01 -0.449163D+01 -0.589165D+01 -0.270971D+00 -0.281196D+01
      2  -0.177831D+00 -0.589165D+01 -0.263637D+01 -0.527846D+00 -0.175185D+00
      3  -0.315559D+01 -0.270971D+00 -0.527846D+00 -0.781838D+00 -0.546531D+01
                26            27            28            29            30 
      1  -0.175185D+00 -0.546531D+01  0.598751D+00  0.171511D+01 -0.337405D+00
      2  -0.948803D+00 -0.724165D+00  0.171511D+01  0.446334D+00 -0.130549D+00
      3  -0.724165D+00 -0.144248D+01 -0.337405D+00 -0.130549D+00 -0.295990D+00
                31            32            33            34            35 
      1  -0.793887D-01  0.981549D+00 -0.303556D+00 -0.573854D+00 -0.137974D+00
      2   0.981549D+00  0.614649D+01 -0.106421D+01 -0.137974D+00 -0.129394D+01
      3  -0.303556D+00 -0.106421D+01 -0.980647D+00  0.591065D+00  0.212530D+01
                36            37            38            39            40 
      1   0.591065D+00 -0.612332D+00 -0.331563D+00  0.663609D+00 -0.486288D+00
      2   0.212530D+01 -0.331563D+00  0.117222D+00  0.103993D+00  0.466181D+00
      3  -0.269787D+00  0.663609D+00  0.103993D+00  0.519667D-01  0.152691D+00
                41            42            43            44            45 
      1   0.466181D+00  0.152691D+00  0.216699D+01  0.243083D+00  0.110931D+01
      2   0.970510D+00  0.129819D+01  0.243083D+00  0.176355D+01  0.219500D+01
      3   0.129819D+01  0.610355D+00  0.110931D+01  0.219500D+01  0.770791D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.405813D+01 -0.645597D+00 -0.661117D+00 -0.202675D+01 -0.901189D+00
      2  -0.689837D+01 -0.226716D+01 -0.939041D+01 -0.626684D+01  0.159248D+01
      3   0.398036D+01  0.386528D+01 -0.565968D+00  0.179718D+02 -0.153039D+01
                 6             7             8             9            10 
      1   0.937830D+00 -0.549176D+00  0.856764D+01  0.848885D+00 -0.182245D+01
      2   0.112602D+01 -0.238817D+02  0.146928D+00 -0.148264D+01 -0.684284D+01
      3  -0.745356D-01  0.328450D+01 -0.198524D+01  0.735867D+00  0.653556D+01
                11            12            13            14            15 
      1   0.138032D+01  0.175678D+01  0.280547D+01 -0.242260D+01 -0.724095D+01
      2   0.270349D+01  0.124058D+02  0.241894D+01 -0.368591D+01 -0.376473D+01
      3  -0.138820D+02 -0.280900D+00  0.621089D+00  0.897351D+01  0.417389D+00
                16            17            18            19            20 
      1  -0.147618D+01  0.607747D+01 -0.100166D+01 -0.798942D+00 -0.133674D+01
      2  -0.140643D+01 -0.170178D+01 -0.398390D+01  0.139700D+02  0.880340D+00
      3  -0.103268D+00  0.160440D+01  0.299695D+01 -0.121660D+02 -0.110874D+02
                21            22            23            24            25 
      1  -0.130144D+00 -0.188742D+01 -0.733081D+00 -0.970374D+01  0.198479D+01
      2   0.138070D+02  0.268854D+01  0.271989D+01  0.892541D+00 -0.853146D+01
      3  -0.498231D-01  0.813077D+01 -0.222801D+01  0.612942D-01 -0.133647D+01
                26            27            28            29            30 
      1   0.929024D+01 -0.357781D-01 -0.868614D+00  0.205751D+00 -0.997525D+00
      2  -0.412209D-01  0.302339D+01  0.553799D+00 -0.667667D+00  0.291625D+01
      3  -0.148670D+00 -0.194176D+01  0.198840D+01 -0.135771D+01  0.324829D+00
                31            32            33            34            35 
      1   0.459113D+00  0.269707D+01 -0.576317D+01 -0.243417D+00 -0.123803D+01
      2   0.133097D+01 -0.101249D+01  0.154942D+01  0.184119D+01  0.128349D+01
      3   0.810205D+01 -0.550200D+01  0.432408D+00 -0.354434D+01  0.157983D+01
                36            37            38            39            40 
      1   0.319947D+01 -0.568126D+00  0.396271D+00  0.320063D-01  0.500926D+00
      2  -0.133653D+01 -0.633902D+00 -0.166342D+00  0.206200D+01 -0.171606D+00
      3  -0.110815D+01  0.459664D+00 -0.209292D+01  0.891866D-01 -0.289399D+00
                41            42            43            44            45 
      1   0.877141D+00 -0.306807D-01 -0.513966D+00  0.185746D+01 -0.252824D+01
      2   0.386030D+00  0.196751D+00 -0.255793D+01  0.111052D+01  0.363090D+01
      3  -0.511056D+00 -0.687772D+00  0.169958D+01 -0.105032D+01 -0.682911D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.372280D+02  0.302066D+01 -0.252021D+00  0.730023D+01  0.914399D-01
      2   0.220069D+02 -0.348155D+00  0.598427D+00 -0.311072D+01 -0.723521D+01
      3   0.152212D+02 -0.267251D+01 -0.346406D+00 -0.418950D+01  0.714377D+01
      4   0.270610D+01 -0.256937D+02 -0.150464D+01 -0.115045D+02  0.310339D+01
      5   0.636613D+00 -0.521673D+00 -0.203492D+02 -0.123442D+01  0.138985D+01
      6   0.192308D+01  0.547417D+00  0.136217D+01  0.323120D+00  0.128442D+01
                 6             7             8             9            10 
      1  -0.305889D+01  0.290012D+01 -0.874796D+00  0.102434D+02  0.618773D+02
      2   0.341484D+01  0.685879D+00  0.561994D+01  0.269531D+01 -0.306687D+02
      3  -0.355952D+00 -0.358600D+01 -0.474514D+01 -0.129388D+02 -0.312086D+02
      4   0.231145D+01 -0.339296D+01  0.401376D+01 -0.251955D+01 -0.225442D+02
      5   0.238859D+01  0.194853D+01 -0.181297D+01 -0.490340D+01 -0.350339D+01
      6  -0.479918D+01 -0.385843D+00 -0.223779D+00 -0.630032D+01 -0.263225D+00
                11            12            13            14            15 
      1  -0.115027D+02 -0.302656D+01 -0.113610D+02  0.903089D+00  0.833357D+00
      2   0.236668D+01  0.132849D+01 -0.117322D+01  0.159506D+02  0.774089D-01
      3   0.913601D+01  0.169807D+01  0.125342D+02 -0.168537D+02 -0.910766D+00
      4   0.300885D+02  0.165194D+01  0.366352D+02 -0.268691D+02 -0.298815D+01
      5   0.900312D+00  0.227632D+02  0.767190D+00 -0.169888D+01 -0.749525D+01
      6  -0.112060D+01 -0.376824D+01 -0.401905D+00  0.605959D+00  0.146109D+02
                16            17            18            19            20 
      1  -0.550277D+01  0.180570D+01 -0.855625D+00  0.618583D+02  0.455108D+01
      2   0.315547D+01 -0.931425D-01 -0.116281D+02 -0.347996D+02 -0.213459D+01
      3   0.234729D+01 -0.171256D+01  0.124837D+02 -0.270586D+02 -0.241649D+01
      4   0.293040D+01 -0.472422D+01 -0.684304D+01  0.117016D+02  0.276762D+02
      5   0.281228D+02 -0.704869D+01 -0.498185D+01  0.210289D+01  0.166285D+00
      6  -0.580238D+01  0.139882D+02  0.650986D+00 -0.142434D+01  0.739355D+00
                21            22            23            24            25 
      1   0.309285D+01  0.549844D+01 -0.993683D+01  0.990601D+00  0.422703D+01
      2  -0.128461D+01 -0.201191D+01  0.215544D+02 -0.491016D+00 -0.249038D+01
      3  -0.180825D+01 -0.348653D+01 -0.116176D+02 -0.499585D+00 -0.173665D+01
      4   0.746076D+00  0.338470D+02  0.563498D+01  0.864841D+00  0.163398D+01
      5   0.283467D+02  0.137671D+00 -0.141074D+00  0.272425D+01  0.309812D+02
      6   0.990322D+00  0.406912D-01 -0.554158D+00  0.190072D+02  0.986667D+00
                26            27            28            29            30 
      1   0.128771D+01 -0.123524D+02  0.252774D+01  0.187585D+01 -0.583345D+00
      2  -0.435705D+00 -0.143606D+02  0.146689D+01  0.144938D+01  0.500584D+00
      3  -0.852007D+00  0.267130D+02 -0.399462D+01 -0.332523D+01  0.827616D-01
      4   0.159341D+01  0.161024D+01  0.615626D+01  0.124907D+02 -0.209827D+01
      5   0.882331D+00  0.175949D+01 -0.127208D+01 -0.170914D+01  0.483776D+01
      6   0.186789D+02 -0.809308D+00 -0.197740D+01 -0.276158D+00  0.108940D+01
                31            32            33            34            35 
      1   0.526446D+00 -0.190246D+02  0.369480D+01 -0.105544D+01  0.422479D+01
      2   0.364527D+01  0.333728D+02 -0.267252D+01  0.297972D+00 -0.592288D+01
      3  -0.417171D+01 -0.143482D+02 -0.102228D+01  0.757469D+00  0.169809D+01
      4   0.749993D+01  0.152377D+02 -0.175956D+01 -0.184815D+01 -0.374538D+01
      5  -0.813543D+00 -0.117204D+01  0.147249D+01  0.348887D+01  0.347370D+01
      6  -0.433066D+00 -0.426489D+01  0.804650D+01  0.202586D+01  0.976238D+01
                36            37            38            39            40 
      1  -0.634960D+01  0.306051D+01 -0.724035D-01  0.116546D+01 -0.900403D+00
      2   0.408224D+01 -0.405325D+01 -0.269567D+00 -0.134109D+01  0.523072D+00
      3   0.226736D+01  0.992740D+00  0.341971D+00  0.175630D+00  0.377330D+00
      4   0.415460D+01  0.384595D+00  0.454819D+01  0.217014D+01  0.259426D+01
      5  -0.192828D+01  0.233325D+01  0.212946D+01  0.800266D+01  0.114310D+01
      6  -0.456386D+01  0.174188D+01  0.109982D+00  0.326346D+00  0.768448D+00
                41            42            43            44            45 
      1  -0.477304D+01 -0.310337D+01 -0.767135D+00 -0.708690D+01 -0.197532D+02
      2   0.183719D+01  0.958273D+00 -0.184714D+01  0.188295D+00 -0.985627D+01
      3   0.293586D+01  0.214509D+01  0.261427D+01  0.689860D+01  0.296095D+02
      4   0.129737D+01  0.186872D+01  0.676726D+00  0.286243D+01  0.359775D+01
      5   0.162214D+01  0.909906D+00  0.453047D+01  0.291000D+01  0.103513D+02
      6   0.389391D+01  0.673573D+01  0.158007D+01  0.690416D+01  0.119877D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.405292D-01      0.103015D+00      0.343620D+00
   y         -0.255286D-01     -0.648873D-01     -0.216441D+00
   z          0.479816D+00      0.121957D+01      0.406805D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.598927D+02      0.887519D+01      0.987498D+01
   yx        -0.154520D+01     -0.228975D+00     -0.254769D+00
   yy         0.405019D+02      0.600177D+01      0.667787D+01
   zx         0.492724D+00      0.730141D-01      0.812392D-01
   zy         0.159046D+01      0.235682D+00      0.262232D+00
   zz         0.346058D+02      0.512806D+01      0.570573D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.539276D+02      0.799125D+01      0.889146D+01
   aniso      0.234412D+02      0.347363D+01      0.386493D+01
   xx         0.690718D+02      0.102354D+02      0.113884D+02
   yx        -0.159563D+01     -0.236448D+00     -0.263084D+00
   yy         0.491099D+02      0.727733D+01      0.809712D+01
   zx         0.297288D+00      0.440535D-01      0.490162D-01
   zy         0.965241D+00      0.143034D+00      0.159147D+00
   zz         0.436011D+02      0.646102D+01      0.718885D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.02926820          0.91556363          0.81941897
    17          3.46444051         -1.29696056          0.23334300
    35         -2.27724404         -0.35661271         -0.22680137
     9          1.52249819          3.08497396         -0.42000077
     1          0.92996966          1.27162130          2.83470941

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.482201D+00      0.122563D+01      0.408827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.596240D+02      0.883536D+01      0.983067D+01
   yx        -0.157564D+01     -0.233486D+00     -0.259788D+00
   yy         0.406469D+02      0.602325D+01      0.670177D+01
   zx         0.269406D+01      0.399218D+00      0.444190D+00
   zy         0.114272D+01      0.169333D+00      0.188409D+00
   zz         0.347296D+02      0.514640D+01      0.572614D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.539276D+02      0.799125D+01      0.889146D+01
   aniso      0.234412D+02      0.347363D+01      0.386493D+01
   xx         0.688345D+02      0.102002D+02      0.113493D+02
   yx        -0.158415D+01     -0.234747D+00     -0.261191D+00
   yy         0.491895D+02      0.728914D+01      0.811026D+01
   zx         0.251558D+01      0.372770D+00      0.414763D+00
   zy         0.538200D+00      0.797530D-01      0.887372D-01
   zz         0.437587D+02      0.648437D+01      0.721484D+01

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-25\Freq\RB3LYP\Gen\C1H1Br1Cl1F1\PIERPA\04-Aug-2021\0\
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      THE ONE-EYED VIEW OF OUR UNIVERSE SAYS YOU MUST NOT LOOK
      FAR AFIELD FOR PROBLEMS.  SUCH PROBLEMS MAY NEVER ARRIVE. 
      INSTEAD, TEND TO THE WOLF WITHIN YOUR FENCES.
      THE PACKS RANGING OUTSIDE MAY NOT EVEN EXIST.

                              -- THE AZHAR BOOK SHAMRA I:4
                                 CHILDREN OF DUNE, BY FRANK HERBERT
 Job cpu time:       0 days  0 hours  6 minutes 28.2 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 34.0 seconds.
 File lengths (MBytes):  RWF=     97 Int=      0 D2E=      0 Chk=      3 Scr=      2
 Normal termination of Gaussian 16 at Wed Aug  4 18:35:00 2021.
